2-(1-methyl-3-phenylsulfanyl-indol-2-yl)ethanoic acid

Systemtic Name: 2-(1-methyl-3-phenylsulfanyl-indol-2-yl)ethanoic acid Openeye Name: 2-(1-methyl-3-phenylsulfanyl-indol-2-yl)acetic acid CAS Name: 2-[1-methyl-3-(phenylthio)-2-indolyl]acetic acid IUPAC Name: 2-(1-methyl-3-phenylsulfanylindol-2-yl)acetic acid Traditional Name: 2-[1-methyl-3-(phenylthio)indol-2-yl]acetic acid Formula: C17H15NO2S MolecularWeight: 297.3715

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1CC(=O)O)SC3=CC=CC=C3

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1CC(=O)O)SC3=CC=CC=C3

InChI

InChI=1S/C17H15NO2S/c1-18-14-10-6-5-9-13(14)17(15(18)11-16(19)20)21-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,19,20)